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Rebaudioside B

CAT: 0024-sc-476748Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-476748Size:5 mg
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CAS Number
58543-17-2

Chemical Information

Rebaudioside B

Rebaudioside B is a rebaudioside that is steviol in which the hydroxy group is replaced by a beta-D-glucopyranosyl-(12)-[beta-D-glucopyranosyl-(13)]-beta-D-glucopyranosyl group. It has a role as a sweetening agent. It is a rebaudioside, a beta-D-glucoside and a trisaccharide derivative. It is functionally related to a beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Glcp. It is a conjugate acid of a rebaudioside B(1-).

CAS Number58543-17-2
PubChem CID21593623
IUPAC Name(1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular FormulaC38H60O18
Molecular Weight804.9
XLogP-1
Topological Polar Surface Area295
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Heavy Atom Count56
Formal Charge0
Complexity1450
SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O
InChI
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
InChIKey
DRSKVOAJKLUMCL-MMUIXFKXSA-N
Chemical Structure
2D Structure
2D structure of Rebaudioside B
CAS: 58543-17-2
CID: 21593623
Formula: C38H60O18
MW: 804.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight804.9
XLogP3-1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Exact Mass804.37796506
Monoisotopic Mass804.37796506
Topological Polar Surface Area295 Ų
Heavy Atom Count56
Formal Charge0
Complexity1450
Isotope Atom Count0
Defined Atom Stereocenter Count21
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TB0015Rebaudioside A

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